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GLPG2451

CAT: 0931-T13705-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T13705-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2055015-61-5
Target
CFTR
Related Pathways
Membrane transporter/Ion channel
Purity
0.9913
Bioactivity
GLPG2451 is an effective CFTR (Cystic Fibrosis Transmembrane Conductance Regulator) enhancer that potentiates cold-rescued F508del CFTR (EC50=11.1 nM), suitable for cystic fibrosis research.
Smiles
S(=O)(=O)(C=1C=C(N)C(C(NC[C@H](C)O)=O)=NC1)C2=CC=C(OC(F)(F)F)C=C2
Molecular Formula
C16H16F3N3O5S
Molecular Weight
419.38
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Glpg-2451
CAS Number2055015-61-5
PubChem CID124106089
IUPAC Name3-amino-N-[(2S)-2-hydroxypropyl]-5-[4-(trifluoromethoxy)phenyl]sulfonylpyridine-2-carboxamide
Molecular FormulaC16H16F3N3O5S
Molecular Weight419.4
XLogP2.1
Topological Polar Surface Area140
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count10
Rotatable Bond Count6
Heavy Atom Count28
Formal Charge0
Complexity632
SMILES
C[C@@H](CNC(=O)C1=C(C=C(C=N1)S(=O)(=O)C2=CC=C(C=C2)OC(F)(F)F)N)O
InChI
InChI=1S/C16H16F3N3O5S/c1-9(23)7-22-15(24)14-13(20)6-12(8-21-14)28(25,26)11-4-2-10(3-5-11)27-16(17,18)19/h2-6,8-9,23H,7,20H2,1H3,(H,22,24)/t9-/m0/s1
InChIKey
UMOGNCVNHXWFIX-VIFPVBQESA-N
Chemical Structure
2D Structure
2D structure of Glpg-2451
CAS: 2055015-61-5
CID: 124106089
Formula: C16H16F3N3O5S
MW: 419.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight419.4
XLogP32.1
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count10
Rotatable Bond Count6
Exact Mass419.07627628
Monoisotopic Mass419.07627628
Topological Polar Surface Area140 Ų
Heavy Atom Count28
Formal Charge0
Complexity632
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
BA3653-5GLPG2451
A18919-25GLPG2451 25mg
A18919-5GLPG2451 5mg
A18919-100GLPG2451 100mg
A18919-50GLPG2451 50mg
A18919-10GLPG2451 10mg
A18919-10mM-DGLPG2451 10mM * 1mL in DMSO

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